N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3)C

InChI

InChI=1S/C26H31N3O2S/c1-18-14-19(2)17-29(16-18)13-5-12-27-25(30)21-10-8-20(9-11-21)15-24-26(31)28-22-6-3-4-7-23(22)32-24/h3-4,6-11,15,18-19H,5,12-14,16-17H2,1-2H3,(H,27,30)(H,28,31)/p+1